2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol

C12H9BrN2O2 — CID 137221286

IUPAC2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C12H9BrN2O2/c13-11-7-9(3-6-12(11)17)15-14-8-1-4-10(16)5-2-8/h1-7,16-17H/b15-14+
InChIKeyVCIOROVFNYSRDN-CCEZHUSRSA-N
MW293.12 g/mol
LogP4.28
Rot. Bonds2

About 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol

2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol (PubChem CID 137221286) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol
PubChem CID137221286
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C12H9BrN2O2/c13-11-7-9(3-6-12(11)17)15-14-8-1-4-10(16)5-2-8/h1-7,16-17H/b15-14+
InChIKeyVCIOROVFNYSRDN-CCEZHUSRSA-N
XLogP4.28
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol?
The IUPAC name of 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol (CID 137221286) is 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol is Oc1ccc(/N=N/c2ccc(O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol?
The InChIKey is VCIOROVFNYSRDN-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-11-7-9(3-6-12(11)17)15-14-8-1-4-10(16)5-2-8/h1-7,16-17H/b15-14+.
What are the key properties of 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol?
2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol has a molecular weight of 293.12 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol is sourced from PubChem (CID 137221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).